SCHEMBL3058743

SCHEMBL3058743

CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3cc(Oc4ccc([N+](=O)[O-])cn4)ccc3[nH]2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.53
▸ DRD3 P35462 4/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ OPRM1 P35372 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ DRD2 P14416 3/20 0.43
▸ AKR1C3 P42330 1/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ SCN9A Q15858 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3059382 0.86 HRH4 (0.50) HRH4DRD3KMT2AHRH3MEN1
SCHEMBL3047375 0.82 MAPT (0.45) DRD3ALDH1A1LMNAMAPTKMT2A
SCHEMBL3056799 0.80 ALDH1A1 (0.45) ALDH1A1LMNAMAPTSCN9A
SCHEMBL3054898 0.78 BRD4 (0.55) HRH4LMNAMAPTABCB1SCN9A
SCHEMBL3051773 0.78 XDH (0.56) HRH4ALDH1A1LMNAMAPTKMT2A
SCHEMBL3058024 0.78 HRH3 (0.45) HRH4KMT2AHRH3ABCB1
SCHEMBL23797939 0.77 HSPB1 (0.46) ALDH1A1LMNAMAPTOPRM1
SCHEMBL3142046 0.76 MGLL (0.56) ALDH1A1LMNAMAPT
SCHEMBL28520794 0.76 NPC1 (0.48) HRH4DRD3KMT2AMEN1DRD2
SCHEMBL23797938 0.76 HSPB1 (0.47) ALDH1A1LMNAMAPTKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 — — US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 — — EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 — — US disclosed
EP-2207773-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2010-07-21 — — EP disclosed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 HRH4 24/4885DRD3 222/4885ALDH1A1 741/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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